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CAS 864445-45-4 JWH 302 molecular structure lightbox
CAS RN: 864445-45-4

JWH 302

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250803 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS864445-45-4
  • Purity/Analytical Methods: >99.0%
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864445-45-4 / 2-(3-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone

Standard CAS: 864445-45-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
864445-45-4
Multi CAS
No
Molecular Formula
C22H25NO2
Molecular Weight
335.400000
Exact Mass
335.188529
InChI
InChI=1S/C22H25NO2/c1-3-4-7-13-23-16-20(19-11-5-6-12-21(19)23)22(24)15-17-9-8-10-18(14-17)25-2/h5-6,8-12,14,16H,3-4,7,13,15H2,1-2H3
InChIKey
XZVYWLVYUAQEIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
102.49
TPSA
31.23

LogP / Solubility

WLOGP
5.27
MLOGP
4.65
XLogP3
5
Consensus LogP
4.97
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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